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CAS 273757-03-2 (S)-3-IMidazo[4,5-b]pyridin-3-yl-pyrrolidine-1-carboxylic acid tert-butyl ester molecular structure lightbox
CAS RN: 273757-03-2

(S)-3-IMidazo[4,5-b]pyridin-3-yl-pyrrolidine-1-carboxylic acid tert-butyl ester

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250123 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS273757-03-2
  • Purity/Analytical Methods: >99.0%
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273757-03-2 / tert-butyl 3-imidazo[4,5-b]pyridin-3-ylpyrrolidine-1-carboxylate

Standard CAS: 273757-03-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
273757-03-2
Multi CAS
Yes
Molecular Formula
C15H20N4O2
Molecular Weight
288.340000
Exact Mass
288.158626
InChI
InChI=1S/C15H20N4O2/c1-15(2,3)21-14(20)18-8-6-11(9-18)19-10-17-12-5-4-7-16-13(12)19/h4-5,7,10-11H,6,8-9H2,1-3H3
InChIKey
RRFFPQYHQRMTFZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
9
Fraction Csp3
0.53
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
78.99
TPSA
60.25

LogP / Solubility

WLOGP
2.61
MLOGP
2.31
XLogP3
1.7
Consensus LogP
2.21
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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